4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one

C14H19FN2O2 — CID 78946539

IUPAC4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
SMILESC[C@@H](O)c1c(F)cccc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H19FN2O2/c1-9(18)12-10(15)5-4-6-11(12)17-8-7-16-13(19)14(17,2)3/h4-6,9,18H,7-8H2,1-3H3,(H,16,19)/t9-/m1/s1
InChIKeyDTDDDXRNYNRRCY-SECBINFHSA-N
MW266.32 g/mol
LogP1.59
Rot. Bonds2

About 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one (PubChem CID 78946539) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
PubChem CID78946539
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
SMILESC[C@@H](O)c1c(F)cccc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H19FN2O2/c1-9(18)12-10(15)5-4-6-11(12)17-8-7-16-13(19)14(17,2)3/h4-6,9,18H,7-8H2,1-3H3,(H,16,19)/t9-/m1/s1
InChIKeyDTDDDXRNYNRRCY-SECBINFHSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one (CID 78946539) is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one is C[C@@H](O)c1c(F)cccc1N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is DTDDDXRNYNRRCY-SECBINFHSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(18)12-10(15)5-4-6-11(12)17-8-7-16-13(19)14(17,2)3/h4-6,9,18H,7-8H2,1-3H3,(H,16,19)/t9-/m1/s1.
What are the key properties of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one?
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 78946539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).